@<TRIPOS>MOLECULE
71587874
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1155    -1.1950    -0.5921	O.3	1	noname	-0.1328
2	O2     0.6588    -1.0795    -2.8257	O.3	1	noname	-0.2648
3	O3    -3.7606    -0.0780     1.1926	O.3	1	noname	-0.3828
4	O4    -1.1559    -1.8292     1.5738	O.2	1	noname	-0.2390
5	O5    -3.6093     2.4853    -5.1159	O.2	1	noname	-0.3035
6	C1    -1.4557    -0.5722    -1.7690	C.2	1	noname	0.0480
7	C2    -0.5351    -0.4446    -2.8371	C.2	1	noname	0.0503
8	C3    -2.3507     0.1084     1.2553	C.3	1	noname	0.1372
9	C4    -2.7270    -0.0073    -1.9040	C.2	1	noname	0.0020
10	C5    -0.8656     0.3635    -3.9589	C.2	1	noname	0.0198
11	C6    -2.1119     1.0711    -3.9796	C.2	1	noname	-0.0147
12	C7    -3.0076     0.8952    -2.9128	C.2	1	noname	-0.0200
13	C8    -1.5698    -1.0251     0.7106	C.2	1	noname	0.1746
14	C9    -1.9723     1.3917     0.5132	C.3	1	noname	-0.0292
15	C10    -2.5048     1.8874    -5.0728	C.2	1	noname	0.0879
16	C11     1.6328    -0.2451    -2.2161	C.3	1	noname	0.0424
17	H1    -2.1329     0.1836     2.3207	H	1	noname	0.0707
18	H2    -3.4721    -0.2352    -1.2576	H	1	noname	0.0651
19	H3    -0.2167     0.4412    -4.7570	H	1	noname	0.0658
20	H4    -3.8876     1.4119    -2.8692	H	1	noname	0.0631
21	H5    -0.8928     1.5344     0.5612	H	1	noname	0.0262
22	H6    -2.4722     2.2413     0.9784	H	1	noname	0.0262
23	H7    -2.2825     1.3137    -0.5288	H	1	noname	0.0262
24	H8    -1.9182     1.9832    -5.8981	H	1	noname	0.1098
25	H9    -4.0081    -0.8742     1.7076	H	1	noname	0.2111
26	H10     2.5952    -0.7569    -2.2069	H	1	noname	0.0535
27	H11     1.3305    -0.0213    -1.1931	H	1	noname	0.0535
28	H12     1.7204     0.6833    -2.7805	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	6	1
2	1	13	1
3	2	7	1
4	2	16	1
5	3	8	1
6	3	25	1
7	4	13	2
8	5	15	2
9	6	7	2
10	6	9	1
11	7	10	1
12	8	13	1
13	8	14	1
14	8	17	1
15	9	12	2
16	9	18	1
17	10	11	2
18	10	19	1
19	11	12	1
20	11	15	1
21	12	20	1
22	14	21	1
23	14	22	1
24	14	23	1
25	15	24	1
26	16	26	1
27	16	27	1
28	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1